2-[4-(4-chlorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-(4-chlorophenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-(4-chlorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-(4-chlorophenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=CC=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H15ClN2O2S/c19-13-8-6-12(7-9-13)17-14(10-15(22)23)16(20-18(24)21-17)11-4-2-1-3-5-11/h1-9,17H,10H2,(H,22,23)(H2,20,21,24)